4-[4-(ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[4-(ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid
4-[4-(ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0474 |
| Compound Name: | 4-[4-(ethoxycarbonyl)piperidin-1-yl]-3-nitrobenzoic acid |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C15 H18 N2 O6 |
| Smiles: | CCOC(C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7069 |
| logD: | -0.1127 |
| logSw: | -2.7998 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.632 |
| InChI Key: | AYJPRRRYIRRWDZ-UHFFFAOYSA-N |